4-(5-fluoropyrimidin-2-yl)thiomorpholine

C8H10FN3S — CID 119103581

IUPAC4-(5-fluoropyrimidin-2-yl)thiomorpholine
SMILESFc1cnc(N2CCSCC2)nc1
InChIInChI=1S/C8H10FN3S/c9-7-5-10-8(11-6-7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKeyZYPSUGNUSBNVDM-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.17
Rot. Bonds1

About 4-(5-fluoropyrimidin-2-yl)thiomorpholine

4-(5-fluoropyrimidin-2-yl)thiomorpholine (PubChem CID 119103581) has the molecular formula C8H10FN3S and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)thiomorpholine.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)thiomorpholine
PubChem CID119103581
Molecular FormulaC8H10FN3S
Molecular Weight199.25 g/mol
Exact Mass199.06
IUPAC Name4-(5-fluoropyrimidin-2-yl)thiomorpholine
SMILESFc1cnc(N2CCSCC2)nc1
InChIInChI=1S/C8H10FN3S/c9-7-5-10-8(11-6-7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKeyZYPSUGNUSBNVDM-UHFFFAOYSA-N
XLogP1.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)thiomorpholine?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)thiomorpholine (CID 119103581) is 4-(5-fluoropyrimidin-2-yl)thiomorpholine.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)thiomorpholine?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)thiomorpholine is Fc1cnc(N2CCSCC2)nc1.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)thiomorpholine?
The InChIKey is ZYPSUGNUSBNVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3S/c9-7-5-10-8(11-6-7)12-1-3-13-4-2-12/h5-6H,1-4H2.
What are the key properties of 4-(5-fluoropyrimidin-2-yl)thiomorpholine?
4-(5-fluoropyrimidin-2-yl)thiomorpholine has a molecular weight of 199.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)thiomorpholine is sourced from PubChem (CID 119103581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).